#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:33:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179334 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/31/4323178.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4323178
loop_
_publ_author_name
'Maya Shivakumar'
'Kausikisankar Pramanik'
'Prasanta Ghosh'
'Animesh Chakravorty'
_publ_section_title
;
 Isolation and Structure of the First Azo Anion Radical Complexes of
 Ruthenium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5968
_journal_page_last               5969
_journal_paper_doi               10.1021/ic980719w
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C50 H42 Cl6 F6 N3 O P3 Ru'
_chemical_formula_weight         1221.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.041(7)
_cell_length_b                   23.986(8)
_cell_length_c                   28.940(19)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7
_cell_volume                     10441(9)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8553
_diffrn_reflns_theta_max         24.05
_diffrn_reflns_theta_min         1.70
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.762
_exptl_absorpt_correction_T_max  0.611
_exptl_absorpt_correction_T_min  0.489
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_description       parallelopiped
_exptl_crystal_F_000             4928
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.067
_refine_ls_goodness_of_fit_obs   1.105
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         8237
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_restrained_S_obs      1.105
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_obs          0.0600
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0706P)²+22.0380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1803
_refine_ls_wR_factor_obs         0.1346
_reflns_number_observed          5028
_reflns_number_total             8248
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic980719w_2.cif
_cod_data_source_block
'[Ru(Clpap)(Cl)(CO)(PPh3)2]+PF6-.2CH2Cl2,3b+PF6-.2CH2Cl2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+22.0380P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+22.0380P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        10441.7(89)
_cod_database_code               4323178
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru Ru 0.32505(3) 0.43311(2) 0.81189(2) 0.0308(2) Uani 1 d . .
P1 P 0.34379(11) 0.33256(7) 0.81375(6) 0.0335(4) Uani 1 d . .
P2 P 0.33027(12) 0.53360(7) 0.80493(6) 0.0350(4) Uani 1 d . .
P3 P 0.3427(2) 0.27947(12) 1.02810(8) 0.0808(8) Uani 1 d . .
Cl1 Cl 0.44528(11) 0.43404(8) 0.75785(6) 0.0466(4) Uani 1 d . .
Cl2 Cl -0.14540(14) 0.42519(12) 0.88862(10) 0.0875(8) Uani 1 d . .
Cl3 Cl 0.2588(3) 0.56016(14) 0.99061(13) 0.1261(12) Uani 1 d . .
Cl4 Cl 0.3648(3) 0.65810(13) 0.98097(12) 0.1213(11) Uani 1 d . .
Cl5 Cl 0.1656(3) 0.4390(2) 1.03308(13) 0.166(2) Uani 1 d . .
Cl6 Cl 0.0091(6) 0.3773(4) 1.0173(3) 0.315(5) Uani 1 d . .
N1 N 0.4152(4) 0.4377(2) 0.8683(2) 0.0378(13) Uani 1 d . .
N2 N 0.2808(4) 0.4403(2) 0.9092(2) 0.0416(14) Uani 1 d . .
N3 N 0.2450(3) 0.4362(2) 0.8688(2) 0.0352(12) Uani 1 d . .
O1 O 0.1863(4) 0.4261(2) 0.7377(2) 0.0605(15) Uani 1 d . .
F1 F 0.3107(7) 0.3163(3) 1.0694(2) 0.180(4) Uani 1 d . .
F2 F 0.3440(6) 0.2252(3) 1.0585(2) 0.155(3) Uani 1 d . .
F3 F 0.3635(6) 0.2416(3) 0.9853(2) 0.140(3) Uani 1 d . .
F4 F 0.3381(7) 0.3303(3) 0.9962(3) 0.184(4) Uani 1 d . .
F5 F 0.4366(6) 0.2911(5) 1.0410(5) 0.250(6) Uani 1 d . .
F6 F 0.2433(6) 0.2669(4) 1.0192(3) 0.160(3) Uani 1 d . .
C1 C 0.4458(5) 0.3110(3) 0.8433(2) 0.042(2) Uani 1 d . .
C2 C 0.5256(5) 0.3167(3) 0.8182(3) 0.053(2) Uani 1 d . .
H2B H 0.5239(5) 0.3297(3) 0.7880(3) 0.063 Uiso 1 calc R .
C3 C 0.6054(5) 0.3033(4) 0.8377(3) 0.065(2) Uani 1 d . .
H3A H 0.6576(5) 0.3078(4) 0.8209(3) 0.078 Uiso 1 calc R .
C4 C 0.6083(6) 0.2830(4) 0.8821(4) 0.075(3) Uani 1 d . .
H4A H 0.6627(6) 0.2731(4) 0.8950(4) 0.089 Uiso 1 calc R .
C5 C 0.5320(6) 0.2772(4) 0.9076(3) 0.069(2) Uani 1 d . .
H5A H 0.5347(6) 0.2641(4) 0.9378(3) 0.082 Uiso 1 calc R .
C6 C 0.4510(5) 0.2911(3) 0.8879(2) 0.050(2) Uani 1 d . .
H6A H 0.3992(5) 0.2870(3) 0.9052(2) 0.060 Uiso 1 calc R .
C7 C 0.3559(4) 0.2946(3) 0.7589(2) 0.037(2) Uani 1 d . .
C8 C 0.3397(4) 0.3182(3) 0.7162(2) 0.044(2) Uani 1 d . .
H8A H 0.3246(4) 0.3556(3) 0.7135(2) 0.052 Uiso 1 calc R .
C9 C 0.3466(5) 0.2840(4) 0.6770(3) 0.054(2) Uani 1 d . .
H9A H 0.3360(5) 0.2993(4) 0.6480(3) 0.065 Uiso 1 calc R .
C10 C 0.3685(5) 0.2289(4) 0.6805(3) 0.064(2) Uani 1 d . .
H10A H 0.3723(5) 0.2070(4) 0.6541(3) 0.077 Uiso 1 calc R .
C11 C 0.3850(6) 0.2057(4) 0.7236(3) 0.066(2) Uani 1 d . .
H11A H 0.4008(6) 0.1683(4) 0.7262(3) 0.079 Uiso 1 calc R .
C12 C 0.3779(6) 0.2389(3) 0.7626(3) 0.056(2) Uani 1 d . .
H12A H 0.3881(6) 0.2235(3) 0.7916(3) 0.068 Uiso 1 calc R .
C13 C 0.2499(5) 0.2970(3) 0.8403(2) 0.041(2) Uani 1 d . .
C14 C 0.2301(5) 0.3018(3) 0.8876(2) 0.047(2) Uani 1 d . .
H14A H 0.2682(5) 0.3213(3) 0.9071(2) 0.056 Uiso 1 calc R .
C15 C 0.1547(6) 0.2778(4) 0.9049(3) 0.064(2) Uani 1 d . .
H15A H 0.1442(6) 0.2797(4) 0.9365(3) 0.076 Uiso 1 calc R .
C16 C 0.0934(6) 0.2510(4) 0.8772(4) 0.076(3) Uani 1 d . .
H16A H 0.0420(6) 0.2357(4) 0.8897(4) 0.091 Uiso 1 calc R .
C17 C 0.1104(5) 0.2476(4) 0.8309(3) 0.067(2) Uani 1 d . .
H17A H 0.0696(5) 0.2300(4) 0.8116(3) 0.081 Uiso 1 calc R .
C18 C 0.1883(5) 0.2700(3) 0.8121(3) 0.049(2) Uani 1 d . .
H18A H 0.1990(5) 0.2670(3) 0.7806(3) 0.059 Uiso 1 calc R .
C19 C 0.4313(5) 0.5584(3) 0.8328(2) 0.038(2) Uani 1 d . .
C20 C 0.5093(5) 0.5601(3) 0.8068(3) 0.047(2) Uani 1 d . .
H20A H 0.5076(5) 0.5532(3) 0.7752(3) 0.056 Uiso 1 calc R .
C21 C 0.5886(5) 0.5722(3) 0.8281(3) 0.056(2) Uani 1 d . .
H21A H 0.6406(5) 0.5724(3) 0.8107(3) 0.067 Uiso 1 calc R .
C22 C 0.5926(6) 0.5841(3) 0.8747(3) 0.067(3) Uani 1 d . .
H22A H 0.6466(6) 0.5930(3) 0.8885(3) 0.081 Uiso 1 calc R .
C23 C 0.5159(6) 0.5828(3) 0.9004(3) 0.060(2) Uani 1 d . .
H23A H 0.5179(6) 0.5915(3) 0.9317(3) 0.072 Uiso 1 calc R .
C24 C 0.4361(5) 0.5688(3) 0.8801(3) 0.046(2) Uani 1 d . .
H24A H 0.3851(5) 0.5663(3) 0.8982(3) 0.056 Uiso 1 calc R .
C25 C 0.3356(4) 0.5656(3) 0.7474(2) 0.043(2) Uani 1 d . .
C26 C 0.3290(5) 0.5361(3) 0.7064(2) 0.050(2) Uani 1 d . .
H26A H 0.3241(5) 0.4975(3) 0.7068(2) 0.059 Uiso 1 calc R .
C27 C 0.3298(5) 0.5648(4) 0.6645(3) 0.062(2) Uani 1 d . .
H27A H 0.3257(5) 0.5450(4) 0.6370(3) 0.074 Uiso 1 calc R .
C28 C 0.3366(6) 0.6213(4) 0.6636(3) 0.069(3) Uani 1 d . .
H28A H 0.3372(6) 0.6399(4) 0.6354(3) 0.083 Uiso 1 calc R .
C29 C 0.3424(6) 0.6508(4) 0.7037(3) 0.072(3) Uani 1 d . .
H29A H 0.3464(6) 0.6895(4) 0.7031(3) 0.087 Uiso 1 calc R .
C30 C 0.3423(6) 0.6226(3) 0.7454(3) 0.063(2) Uani 1 d . .
H30A H 0.3468(6) 0.6428(3) 0.7727(3) 0.076 Uiso 1 calc R .
C31 C 0.2352(4) 0.5715(3) 0.8290(2) 0.040(2) Uani 1 d . .
C32 C 0.2432(6) 0.6187(3) 0.8564(3) 0.054(2) Uani 1 d . .
H32A H 0.2991(6) 0.6317(3) 0.8649(3) 0.065 Uiso 1 calc R .
C33 C 0.1675(6) 0.6464(4) 0.8711(3) 0.067(2) Uani 1 d . .
H33A H 0.1728(6) 0.6767(4) 0.8909(3) 0.081 Uiso 1 calc R .
C34 C 0.0847(6) 0.6296(4) 0.8566(3) 0.071(3) Uani 1 d . .
H34A H 0.0343(6) 0.6492(4) 0.8657(3) 0.086 Uiso 1 calc R .
C35 C 0.0769(5) 0.5836(4) 0.8287(3) 0.061(2) Uani 1 d . .
H35A H 0.0211(5) 0.5718(4) 0.8189(3) 0.074 Uiso 1 calc R .
C36 C 0.1517(5) 0.5549(3) 0.8151(3) 0.052(2) Uani 1 d . .
H36A H 0.1458(5) 0.5238(3) 0.7962(3) 0.062 Uiso 1 calc R .
C37 C 0.3729(5) 0.4396(3) 0.9093(2) 0.044(2) Uani 1 d . .
C38 C 0.4186(5) 0.4413(3) 0.9509(3) 0.055(2) Uani 1 d . .
H38A H 0.3878(5) 0.4428(3) 0.9788(3) 0.066 Uiso 1 calc R .
C39 C 0.5084(6) 0.4408(3) 0.9503(3) 0.063(2) Uani 1 d . .
H39A H 0.5401(6) 0.4412(3) 0.9779(3) 0.076 Uiso 1 calc R .
C40 C 0.5527(5) 0.4395(3) 0.9086(3) 0.060(2) Uani 1 d . .
H40A H 0.6145(5) 0.4397(3) 0.9078(3) 0.072 Uiso 1 calc R .
C41 C 0.5044(5) 0.4379(3) 0.8679(2) 0.043(2) Uani 1 d . .
H41A H 0.5342(5) 0.4371(3) 0.8398(2) 0.052 Uiso 1 calc R .
C42 C 0.1500(4) 0.4361(3) 0.8713(2) 0.042(2) Uani 1 d . .
C43 C 0.1083(5) 0.4684(3) 0.9050(3) 0.056(2) Uani 1 d . .
H43A H 0.1420(5) 0.4914(3) 0.9241(3) 0.067 Uiso 1 calc R .
C44 C 0.0180(6) 0.4664(4) 0.9100(3) 0.065(2) Uani 1 d . .
H44A H -0.0104(6) 0.4885(4) 0.9319(3) 0.078 Uiso 1 calc R .
C45 C -0.0308(5) 0.4309(4) 0.8820(3) 0.054(2) Uani 1 d . .
C46 C 0.0108(5) 0.3989(3) 0.8488(3) 0.050(2) Uani 1 d . .
H46A H -0.0223(5) 0.3749(3) 0.8303(3) 0.059 Uiso 1 calc R .
C47 C 0.1004(4) 0.4026(3) 0.8430(2) 0.043(2) Uani 1 d . .
H47A H 0.1281(4) 0.3823(3) 0.8197(2) 0.052 Uiso 1 calc R .
C48 C 0.2373(5) 0.4283(3) 0.7661(2) 0.040(2) Uani 1 d . .
C49 C 0.2653(9) 0.6319(5) 0.9973(4) 0.124(5) Uani 1 d . .
H49A H 0.2188(9) 0.6494(5) 0.9792(4) 0.149 Uiso 1 calc R .
H49B H 0.2549(9) 0.6412(5) 1.0295(4) 0.149 Uiso 1 calc R .
C50 C 0.1193(12) 0.3809(6) 1.0126(6) 0.155(6) Uani 1 d . .
H50A H 0.1450(12) 0.3493(6) 1.0287(6) 0.186 Uiso 1 calc R .
H50B H 0.1349(12) 0.3774(6) 0.9802(6) 0.186 Uiso 1 calc R .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C48 Ru N3 99.0(2) . . ?
C48 Ru N1 174.8(2) . . ?
N3 Ru N1 75.8(2) . . ?
C48 Ru Cl1 94.0(2) . . ?
N3 Ru Cl1 166.8(2) . . ?
N1 Ru Cl1 91.1(2) . . ?
C48 Ru P2 91.5(2) . . ?
N3 Ru P2 92.9(2) . . ?
N1 Ru P2 89.54(15) . . ?
Cl1 Ru P2 84.94(6) . . ?
C48 Ru P1 92.1(2) . . ?
N3 Ru P1 95.0(2) . . ?
N1 Ru P1 87.72(15) . . ?
Cl1 Ru P1 86.33(6) . . ?
P2 Ru P1 170.79(6) . . ?
C13 P1 C1 108.7(3) . . ?
C13 P1 C7 102.1(3) . . ?
C1 P1 C7 100.4(3) . . ?
C13 P1 Ru 112.6(2) . . ?
C1 P1 Ru 112.8(2) . . ?
C7 P1 Ru 118.9(2) . . ?
C19 P2 C31 108.7(3) . . ?
C19 P2 C25 103.3(3) . . ?
C31 P2 C25 99.9(3) . . ?
C19 P2 Ru 108.4(2) . . ?
C31 P2 Ru 115.9(2) . . ?
C25 P2 Ru 119.6(2) . . ?
F5 P3 F4 92.5(6) . . ?
F5 P3 F6 175.0(7) . . ?
F4 P3 F6 90.6(6) . . ?
F5 P3 F1 89.6(6) . . ?
F4 P3 F1 89.8(5) . . ?
F6 P3 F1 86.5(5) . . ?
F5 P3 F3 96.8(7) . . ?
F4 P3 F3 89.7(4) . . ?
F6 P3 F3 87.1(5) . . ?
F1 P3 F3 173.6(6) . . ?
F5 P3 F2 90.2(6) . . ?
F4 P3 F2 176.5(5) . . ?
F6 P3 F2 86.8(5) . . ?
F1 P3 F2 92.5(4) . . ?
F3 P3 F2 87.7(4) . . ?
C41 N1 C37 118.7(6) . . ?
C41 N1 Ru 129.1(5) . . ?
C37 N1 Ru 112.2(4) . . ?
N3 N2 C37 114.7(6) . . ?
N2 N3 C42 111.7(5) . . ?
N2 N3 Ru 119.1(4) . . ?
C42 N3 Ru 129.1(4) . . ?
C6 C1 C2 117.9(7) . . ?
C6 C1 P1 125.6(6) . . ?
C2 C1 P1 116.5(5) . . ?
C3 C2 C1 120.9(8) . . ?
C2 C3 C4 119.9(8) . . ?
C5 C4 C3 120.8(8) . . ?
C4 C5 C6 119.5(8) . . ?
C1 C6 C5 121.1(8) . . ?
C8 C7 C12 120.5(6) . . ?
C8 C7 P1 123.6(5) . . ?
C12 C7 P1 115.8(5) . . ?
C7 C8 C9 118.2(7) . . ?
C10 C9 C8 121.5(8) . . ?
C9 C10 C11 119.9(7) . . ?
C10 C11 C12 119.2(8) . . ?
C7 C12 C11 120.8(7) . . ?
C18 C13 C14 117.9(7) . . ?
C18 C13 P1 119.1(5) . . ?
C14 C13 P1 122.5(6) . . ?
C15 C14 C13 119.8(7) . . ?
C14 C15 C16 122.6(8) . . ?
C17 C16 C15 118.2(8) . . ?
C16 C17 C18 120.9(8) . . ?
C13 C18 C17 120.5(7) . . ?
C20 C19 C24 118.8(7) . . ?
C20 C19 P2 118.2(5) . . ?
C24 C19 P2 122.5(5) . . ?
C21 C20 C19 119.7(7) . . ?
C20 C21 C22 121.3(8) . . ?
C23 C22 C21 119.2(8) . . ?
C22 C23 C24 120.5(7) . . ?
C23 C24 C19 120.4(7) . . ?
C30 C25 C26 118.5(7) . . ?
C30 C25 P2 117.3(6) . . ?
C26 C25 P2 124.1(5) . . ?
C25 C26 C27 119.5(7) . . ?
C28 C27 C26 120.6(8) . . ?
C27 C28 C29 120.4(8) . . ?
C28 C29 C30 119.3(8) . . ?
C25 C30 C29 121.7(8) . . ?
C36 C31 C32 118.7(7) . . ?
C36 C31 P2 117.3(5) . . ?
C32 C31 P2 123.7(6) . . ?
C33 C32 C31 119.7(8) . . ?
C34 C33 C32 120.7(8) . . ?
C35 C34 C33 119.5(8) . . ?
C34 C35 C36 120.0(8) . . ?
C31 C36 C35 121.3(8) . . ?
N1 C37 N2 118.2(6) . . ?
N1 C37 C38 122.2(7) . . ?
N2 C37 C38 119.7(7) . . ?
C39 C38 C37 118.9(8) . . ?
C38 C39 C40 119.6(7) . . ?
C39 C40 C41 119.4(7) . . ?
N1 C41 C40 121.1(7) . . ?
C47 C42 C43 120.0(7) . . ?
C47 C42 N3 120.9(6) . . ?
C43 C42 N3 119.0(6) . . ?
C44 C43 C42 120.0(8) . . ?
C43 C44 C45 119.1(7) . . ?
C46 C45 C44 120.6(7) . . ?
C46 C45 Cl2 118.9(7) . . ?
C44 C45 Cl2 120.5(6) . . ?
C47 C46 C45 120.0(7) . . ?
C46 C47 C42 120.2(7) . . ?
O1 C48 Ru 178.0(6) . . ?
Cl4 C49 Cl3 112.8(7) . . ?
Cl5 C50 Cl6 115.5(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru C48 1.874(8) . ?
Ru N3 2.042(5) . ?
Ru N1 2.125(5) . ?
Ru Cl1 2.391(2) . ?
Ru P2 2.420(2) . ?
Ru P1 2.429(2) . ?
P1 C13 1.820(7) . ?
P1 C1 1.832(7) . ?
P1 C7 1.840(6) . ?
P2 C19 1.821(7) . ?
P2 C31 1.831(7) . ?
P2 C25 1.835(7) . ?
P3 F5 1.486(8) . ?
P3 F4 1.531(7) . ?
P3 F6 1.547(8) . ?
P3 F1 1.563(8) . ?
P3 F3 1.568(7) . ?
P3 F2 1.571(7) . ?
Cl2 C45 1.740(7) . ?
Cl3 C49 1.735(12) . ?
Cl4 C49 1.691(13) . ?
Cl5 C50 1.667(14) . ?
Cl6 C50 1.67(2) . ?
N1 C41 1.342(8) . ?
N1 C37 1.346(9) . ?
N2 N3 1.293(7) . ?
N2 C37 1.385(9) . ?
N3 C42 1.430(8) . ?
O1 C48 1.126(8) . ?
C1 C6 1.379(10) . ?
C1 C2 1.409(10) . ?
C2 C3 1.363(10) . ?
C3 C4 1.374(12) . ?
C4 C5 1.371(12) . ?
C5 C6 1.386(10) . ?
C7 C8 1.380(9) . ?
C7 C12 1.381(10) . ?
C8 C9 1.403(9) . ?
C9 C10 1.366(11) . ?
C10 C11 1.387(12) . ?
C11 C12 1.385(10) . ?
C13 C18 1.393(9) . ?
C13 C14 1.405(9) . ?
C14 C15 1.367(10) . ?
C15 C16 1.380(12) . ?
C16 C17 1.365(12) . ?
C17 C18 1.401(10) . ?
C19 C20 1.394(9) . ?
C19 C24 1.394(10) . ?
C20 C21 1.373(10) . ?
C21 C22 1.380(12) . ?
C22 C23 1.373(12) . ?
C23 C24 1.377(10) . ?
C25 C30 1.374(10) . ?
C25 C26 1.385(10) . ?
C26 C27 1.394(10) . ?
C27 C28 1.360(12) . ?
C28 C29 1.363(12) . ?
C29 C30 1.383(11) . ?
C31 C36 1.377(10) . ?
C31 C32 1.389(10) . ?
C32 C33 1.384(10) . ?
C33 C34 1.375(12) . ?
C34 C35 1.373(12) . ?
C35 C36 1.376(10) . ?
C37 C38 1.387(9) . ?
C38 C39 1.351(11) . ?
C39 C40 1.380(11) . ?
C40 C41 1.385(10) . ?
C42 C47 1.370(9) . ?
C42 C43 1.395(10) . ?
C43 C44 1.367(10) . ?
C44 C45 1.386(11) . ?
C45 C46 1.379(10) . ?
C46 C47 1.361(9) . ?
